5-bromo-indan-1-one oxime | 1251457-83-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 5-bromo-indan-1-one oxime
• 英文别名: N-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)hydroxylamine；(NE)-N-(5-bromo-2,3-dihydroinden-1-ylidene)hydroxylamine
• CAS: 1251457-83-6
• 化学式: C₉H₈BrNO
• 分子量: 226.073
• InChiKey: FKVWLYRRDKFLBM-PKNBQFBNSA-N

物化性质

• 沸点：
  346.5±41.0 °C(Predicted)
• 密度：
  1.67±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-bromo-indan-1-one oxime 在 lithium aluminium tetrahydride 、 sodium hydroxide 、 水 作用下， 以 乙醚 为溶剂， 反应 5.0h， 以94%的产率得到5-溴-2,3-二氢-1H-茚-1-胺
  参考文献：
  名称：

  Multicyclic bis-amide MMP inhibitors

  摘要：

  本发明总体涉及含有双酰胺基团的药物制剂，特别是多环双酰胺MMP-13抑制剂化合物。更具体地，本发明提供了一类新型的MMP-13抑制化合物，它们含有与杂环部分结合的嘧啶基双酰胺基团，与目前已知含双酰胺基团的MMP-13抑制剂相比，显示出增加的活性和溶解度。

  公开号：

  US20060173183A1
• 作为产物：
  描述：

  5-溴茚酮 在 盐酸羟胺 、 sodium acetate 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以99%的产率得到5-bromo-indan-1-one oxime
  参考文献：
  名称：

  Multicyclic bis-amide MMP inhibitors

  摘要：

  本发明总体涉及含有双酰胺基团的药物制剂，特别是多环双酰胺MMP-13抑制剂化合物。更具体地，本发明提供了一类新型的MMP-13抑制化合物，它们含有与杂环部分结合的嘧啶基双酰胺基团，与目前已知含双酰胺基团的MMP-13抑制剂相比，显示出增加的活性和溶解度。

  公开号：

  US20060173183A1

文献信息

• 5-Aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators
  申请人：Zhang Puwen

  公开号：US20070066637A1

  公开（公告）日：2007-03-22

  Compounds of formula I, wherein R 1 -R 9 and n are defined herein, and pharmaceutical compositions and kits containing these compounds are provided. Also provided are methods of inducing contraception, providing hormone replacement therapy, treating cycle-related symptoms, or treating or preventing benign or malignant neoplastic disease using the compounds of formula I or formula II, wherein R 3 -R 5 , R 10 , and R 11 are defined herein.

  提供了式I的化合物，其中R1-R9和n在此处定义，并提供了含有这些化合物的药物组合物和试剂盒。 还提供了使用式I或式II的化合物诱导避孕、提供激素替代疗法、治疗与周期相关的症状，或治疗或预防良性或恶性肿瘤疾病的方法，其中R3-R5、R10和R11在此处定义。
• [EN] SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS CYCLIQUES SUBSTITUÉS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：CALITOR SCIENCES LLC

  公开号：WO2014089324A1

  公开（公告）日：2014-06-12

  The present invention provides novel substituted alkynyl compounds, pharmaceutical acceptable salts and formulations thereof useful in modulating the protein tyrosine kinase activity, and in modulating cellular activities such as proliferation, differentiation, apoptosis, migration and invasion. The invention also provides pharmaceutically acceptable compositions comprising such compounds and methods of using the compositions in the treatment of hyperproliferative disorders in mammals, especially humans.

  本发明提供了新颖的取代炔基化合物，药用可接受的盐及其制剂，用于调节蛋白酪氨酸激酶活性，并调节细胞活动，如增殖、分化、凋亡、迁移和侵袭。该发明还提供了包括这些化合物的药用可接受的组合物，以及在治疗哺乳动物，特别是人类的增生性疾病中使用这些组合物的方法。
• [EN] METHODS OF CONTROLLING INSECTS<br/>[FR] PROCÉDÉS DE LUTTE CONTRE LES INSECTES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2014029707A1

  公开（公告）日：2014-02-27

  The present invention provides a method comprising applying to a crop of rice plants, the locus thereof, or propagation material thereof, a compound of formula (I) wherein -B1-Β2-Β3- is -C=N-O-, -C=N-CH2-, or -N-CH2-CH2-; providing that when A is A1 -B1-Β2-Β3- is -C=N-CH2- or -N-CH2-CH2-, when A is A2 -B1-Β2-Β3- is -C=N-O- or -N-CH2-CH2-, and when A is A3 -B1-B2-B3- is -C=N-O-; R1 is trifluoromethyl, difluoromethyl or chlorodifluoromethyl; R2 is group (X) X2 is C-X6 or nitrogen; X1, X3 and X6 are independently hydrogen, halogen or trihalomethyl, wherein at least one of X1, X3 and X 6 : is not hydrogen; A is selected from (A1) to (A5) Y1 is C-R6, CH or nitrogen; Y2 and Y3 are independently CH or nitrogen; wherein no more than two of Y1, Y2 and Y3 are nitrogen and wherein Y2 and Y3 are not both nitrogen; R5 is hydrogen, halogen, cyano, nitro, NH2, C1-C4alkyl, C1-C4haloalkyl, C3-C5cycloalkyl, C3-C5halocycloalkyl, C1-C2alkoxy, or C1-C2haloalkoxy; providing that when A is A3 or A4, R5 is not hydrogen; R6 when present together with R5 forms a -CH=CH-CH=CH- bridge; R7 is C1-C4alkyl; R8 is C1-C4alkyl, C1-C4haloalkyl, C1-C4alkoxy(C1-C4)alkyl, C1-C4alkylthio(C1-C4)alkyl, C1-C4alkylsulfmyl(C1-C4)alkyl, C1-C4alkylsulfonyl(C1-C4)alkyl, C3-C6cycloalkyl, C3-C6cycloalkyl(C1-C4)alkyl-, or tetrahydrofuranyl; R9 is C1-C4alkyl, C1-C4haloalkyl, C1-C4alkyl-O-CH2-, C1-C4haloalkyl-O-CH2-,C3-C6cycloalkyl, C3- C6cycloalkyl-CH2, C1-C4alkyl-S-CH2-, C1-C4alkyl-S(O)-CH2-, or C1-C4alkyl-S(O)-CH2; each Z is independently halogen, C1-C12alkyl or C1-C12alkyl substituted by one to five R12, nitro, C1-C12alkoxy or C1-C12alkoxy substituted by one to five R12 cyano, C1-C12alkylsulfinyl, C1-C12alkylsulfonyl, C1-C12haloalkylsulfinyl, C1-C12haloalkylsulfonyl, hydroxyl or thiol; each R12 is halogen, cyano, nitro, hydroxy, C1-C8alkoxy-, C1-C8haloalkoxy-, mercapto, C1-C8alkylthio-, or C1-C8haloalkylthio; and k is 0, 1,2 or 3.

  本发明提供了一种方法，包括将式（I）的化合物施用于水稻植株、其基因座或繁殖材料，其中-B1-Β2-Β3-为-C=N-O-，-C=N-CH2-或-N-CH2-CH2-；当A为A1时，-B1-Β2-Β3-为-C=N-CH2-或-N-CH2-CH2-，当A为A2时，-B1-Β2-Β3-为-C=N-O-或-N-CH2-CH2-，当A为A3时，-B1-B2-B3-为-C=N-O-；R1为三氟甲基、二氟甲基或氯二氟甲基；R2为基团（X），X2为C-X6或氮；X1、X3和X6独立地为氢、卤素或三卤甲基，其中X1、X3和X6中至少有一个不是氢；A从（A1）到（A5）中选择，Y1为C-R6、CH或氮；Y2和Y3独立地为CH或氮；其中Y1、Y2和Y3中不超过两个为氮，且Y2和Y3不同时为氮；R5为氢、卤素、氰基、硝基、NH2、C1-C4烷基、C1-C4卤代烷基、C3-C5环烷基、C3-C5卤代环烷基、C1-C2烷氧基或C1-C2卤代烷氧基；当A为A3或A4时，R5不是氢；R6与R5一起形成一个-CH=CH-CH=CH-桥；R7为C1-C4烷基；R8为C1-C4烷基、C1-C4卤代烷基、C1-C4烷氧（C1-C4）烷基、C1-C4烷硫（C1-C4）烷基、C1-C4烷基磺（C1-C4）烷基、C1-C4烷基磺酰（C1-C4）烷基、C3-C6环烷基、C3-C6环烷基（C1-C4）烷基或四氢呋喃基；R9为C1-C4烷基、C1-C4卤代烷基、C1-C4烷氧-CH2-、C1-C4卤代烷氧-CH2-、C3-C6环烷基、C3-C6环烷基-CH2-、C1-C4烷硫-CH2-、C1-C4烷硫酰-CH2-或C1-C4烷硫酰-CH2-；每个Z独立地为卤素、C1-C12烷基或被1至5个R12、硝基、C1-C12烷氧基或被1至5个R12氰基、C1-C12烷基亚硝基、C1-C12烷基磺酰基、C1-C12烷基磺酰基、C1-C12卤代烷基磺酰基、C1-C12卤代烷基磺酰基、羟基或硫醇取代的C1-C12烷氧基；每个R12为卤素、氰基、硝基、羟基、C1-C8烷氧基、C1-C8卤代烷氧基、巯基、C1-C8烷硫基或C1-C8卤代烷硫基；k为0、1、2或3。
• [EN] METHODS OF CONTROLLING INSECTS<br/>[FR] PROCÉDÉS DE CONTRÔLE DES INSECTES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2014029708A1

  公开（公告）日：2014-02-27

  The present invention provides provides a method for controlling and/or preventing insects from the genus of Plutella in useful plants, comprising applying to a crop of useful plants, the locus thereof, or propagation material thereof, a compound of formula (I), wherein -B1-Β2-Β3- is -C=N-O-, -C=N-CH2-, or -N-CH2-CH2-; R1 is trifluoromethyl, difluoromethyl or chlorodifluoromethyl; R2 is group X X2 is C-X6 or nitrogen; X1, X3 and X6 are independently hydrogen, halogen or trihalomethyl, wherein at least one of X1, X3 and X6 is not hydrogen; A is selected from A1 to A5 Y1 is C-R6, CH or nitrogen; Y2 and Y3 are independently CH or nitrogen; wherein no more than two of Y1, Y2 and Y3 are nitrogen and wherein Y2 and Y3 are not both nitrogen; R5 is hydrogen, halogen, cyano, nitro, NH2, C1-C4alkyl, C1C4aloalkyl, C3-C5cycloalkyl, C3- C5halocycloalkyl, C1-C2alkoxy, or C1-C2haloalkoxy, preferably provided that when A is A3 or A4 R5 is not hydrogen; R6 when present together with R5 forms a -CH=CH-CH=CH- bridge; R7 is C1C4alkyl; R8 is C1-C4alkyl, C1-C4haloalkyl, C1-C4alkoxy(C1-C4)alkyl, C1-C4alkylthio(C1-C4)alkyl, C1- C4alkylsulfinyl(C1-C4)alkyl, C1-C4alkylsulfonyl(C1-C4)alkyl, C3-C6cycloalkyl, C3-C6cycloalkyl(C1-C4)alkyl-, or tetrahydrofuranyl; R9 is C1-C4alkyl, C1-C4haloalkyl, C1-C4alkyl-O-CH2-, C1-C4haloalkyl-O-CH2-,C3-C6cycloalkyl, C3-C6cycloalkyl-CH2-, C1-C4alkyl-S-CH2-, C1-C4alkyl-S(O)-CH2-, or C1-C4alkyl-S(O2)-CH2; each Z is independently halogen, C1-C12alkyl or C1-C12alkyl substituted by one to five R12, nitro, C1-C12alkoxy or C1-C12alkoxy substituted by one to five R12 cyano, C1-C12alkylsulfinyl, C1-C12alkylsulfonyl, C1-C12haloalkylsulfinyl, C1-C12haloalkylsulfonyl, hydroxyl or thiol; each R12 is halogen, cyano, nitro, hydroxy, C1-C8alkoxy-, C1-C8haloalkoxy-, mercapto, C1-C8alkylthio-, or C1-C8haloalkylthio; and k is 0, 1,2 or 3.

  本发明提供了一种用于控制和/或预防有用植物中十字花科昆虫属的昆虫的方法，包括将式(I)的化合物施用于有用植物的作物、其位点或繁殖材料，其中-B1-Β2-Β3-为-C=N-O-，-C=N-CH2-或-N-CH2-CH2-；R1为三氟甲基、二氟甲基或氯二氟甲基；R2为X的基团，X2为C-X6或氮；X1、X3和X6独立地为氢、卤素或三卤甲基，其中X1、X3和X6中至少有一个不是氢；A从A1到A5中选择，Y1为C-R6、CH或氮；Y2和Y3独立地为CH或氮；其中Y1、Y2和Y3中不超过两个是氮，且Y2和Y3不同时为氮；R5为氢、卤素、氰基、硝基、NH2、C1-C4烷基、C1-C4烷氧基、C3-C5环烷基、C3-C5卤代环烷基、C1-C2烷氧基或C1-C2卤代烷氧基，优选当A为A3或A4时R5不是氢；R6与R5一起形成一个-CH=CH-CH=CH-桥；R7为C1C4烷基；R8为C1-C4烷基、C1-C4卤代烷基、C1-C4烷氧(C1-C4)烷基、C1-C4烷硫基(C1-C4)烷基、C1-C4烷基亚砜基(C1-C4)烷基、C1-C4烷基砜基(C1-C4)烷基、C3-C6环烷基、C3-C6环烷基(C1-C4)烷基或四氢呋喃基；R9为C1-C4烷基、C1-C4卤代烷基、C1-C4烷氧-CH2-、C1-C4卤代烷氧-CH2-、C3-C6环烷基、C3-C6环烷基-CH2-、C1-C4烷硫-CH2-、C1-C4烷硫氧-CH2-或C1-C4烷硫氧2-CH2；每个Z独立地为卤素、C1-C12烷基或被1至5个R12取代的C1-C12烷基，硝基，C1-C12烷氧基或被1至5个R12取代的C1-C12烷氧基，氰基，C1-C12烷基亚砜基，C1-C12烷基砜基，C1-C12卤代烷基亚砜基，C1-C12卤代烷基砜基，羟基或硫醇；每个R12为卤素，氰基，硝基，羟基，C1-C8烷氧基，C1-C8卤代烷氧基，巯基，C1-C8烷硫基或C1-C8卤代烷硫基；k为0、1、2或3。
• ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：LES LABORATOIRES SERVIER

  公开号：US20170137385A1

  公开（公告）日：2017-05-18

  A compound of formula (I): wherein the substituents are as defined in the description. Medicinal products containing the same which are useful in treating or preventing pathologies which are the result of activation of the RhoA/ROCK pathway and phosphorylation of the myosin light chain.

  式（I）的化合物：其中取代基如描述中所定义。含有相同化合物的药品，可用于治疗或预防由RhoA/ROCK途径的激活和肌球蛋白轻链的磷酸化所导致的病理。